2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol

C8H13F4NO — CID 142311874

IUPAC2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol
SMILESCNC(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F4NO/c1-6(3-7(9,10)4-6)8(11,12)5(14)13-2/h5,13-14H,3-4H2,1-2H3
InChIKeySKZCSEMXXNMWCM-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.59
Rot. Bonds3

About 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol

2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol (PubChem CID 142311874) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol.

Molecular Properties

Compound Name2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol
PubChem CID142311874
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol
SMILESCNC(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F4NO/c1-6(3-7(9,10)4-6)8(11,12)5(14)13-2/h5,13-14H,3-4H2,1-2H3
InChIKeySKZCSEMXXNMWCM-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol?
The IUPAC name of 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol (CID 142311874) is 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol.
What is the SMILES notation for 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol?
The canonical SMILES for 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol is CNC(O)C(F)(F)C1(C)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol?
The InChIKey is SKZCSEMXXNMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-6(3-7(9,10)4-6)8(11,12)5(14)13-2/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol?
2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol has a molecular weight of 215.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-methylcyclobutyl)-2,2-difluoro-1-(methylamino)ethanol is sourced from PubChem (CID 142311874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).